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Code Commit Log


Commit Date  
[r999] by struanr

* MolecularComponents.cpp: Code added to suppress the in writing of the general inertia matrix.
* Miscellaneous changes relating to VC12.
* Linux64 baseline updates.

 2014-06-01 14:17:39 Tree
[r998] by struanr

Documentation update.

 2014-05-31 18:06:34 Tree
[r997] by struanr

Added member datum to account for the phase difference between the configuration coordinates and the potential in the input file.

 2014-05-31 16:26:52 Tree
[r996] by struanr

Initial revision of VC 12 project files

 2014-05-30 18:13:05 Tree
[r995] by chrismorl
2014-05-25 20:55:58 Tree
[r994] by chrismorl

Allow extra control blocks have their own conditions block

 2014-05-25 20:29:40 Tree
[r993] by struanr

Refactoring of the internal rotation vector method.

 2014-05-18 22:19:17 Tree
[r992] by struanr

Altered to calculate the cosine Fourier coefficients of the reciprocal internal moment of inertia and make them available to the hindered rotor method.

 2014-05-18 08:34:00 Tree
[r991] by chrismorl

Tidy AcetylPrior and move it from MesmerQA to examples.

 2014-05-15 19:53:50 Tree
[r990] by struanr

Angle dependent GRIT calculated for a fixed number of configurations.

 2014-05-11 22:44:17 Tree
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